The Modification of Nitrogen to Modulate Perovskite for the Application of p-Type Transparent Conductive Oxides.

Yunting Liang, Kaihua Li, Haixu Chen, Yinling Wang, Shasha Zheng, Liuyang Bai

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Article in Molecules (Basel, Switzerland), 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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5 · Who and what money

Authors and funding

6 authors.

Yunting LiangSchool of Energy Engineering, Huanghuai University, Zhumadian 463000, China.

Kaihua LiSchool of Energy Engineering, Huanghuai University, Zhumadian 463000, China.

Haixu ChenSchool of Energy Engineering, Huanghuai University, Zhumadian 463000, China.ORCID 0000-0003-2134-2555

Yinling WangSchool of Energy Engineering, Huanghuai University, Zhumadian 463000, China.

Shasha ZhengSchool of Energy Engineering, Huanghuai University, Zhumadian 463000, China.

Liuyang BaiSchool of Energy Engineering, Huanghuai University, Zhumadian 463000, China.

Funding

Henan Province Science and Technology Research Projects 232102231001Henan Province Science and Technology Research Projects 242102321090Zhumadian Research & Development Project ZMDSZDZX2023013

6 · The paper itself

Abstract

Due to the strong electronegativity of oxygen ions, the valence band maximum (VBM) that is derived from the O 2p orbital leads to strong localization, as well as further heavy hole mass and low hole mobility, which makes it extremely difficult to obtain high-conductivity p-type transparent conductive materials. Herein, we propose the strategy of multiple anions through the introduction of weaker electronegative nitrogen, in consideration of the delocalization on VBM, as well as the stability of octahedral anion cages. As such, first-principles calculations in the framework of density functional theory (DFT) are used for this work. Crystal structure prediction software USPEX (version 2023.0) was adopted to investigate the N-O appropriate ratio in CaTiO

Indexed as

conductivityDFTN-O ratioperovskite oxidestransmissiontransparent conductive oxides

Identifiers

PMID41599272

DOI10.3390/molecules31020222

PMCPMC12843788

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.